Information card for entry 7034461

Structure parameters

• Formula: C41 H27 Cl F Ir N6
• Calculated formula: C41 H27 Cl F Ir N6
• SMILES: [Ir]123(c4c(c5cccc[n]25)cccc4)(c2c(c4cccc[n]14)cccc2)[n]1c2c(ccc1)c1c(c4c2[n]3ccc4)ncn1c1ccc(F)cc1.[Cl-]
• Title of publication: Cyclometalated iridium(iii) complexes with imidazo[4,5-f][1,10]phenanthroline derivatives for mitochondrial imaging in living cells.
• Authors of publication: Jin, Chengzhi; Liu, Jiangping; Chen, Yu; Li, Guanying; Guan, Ruilin; Zhang, Pingyu; Ji, Liangnian; Chao, Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7538 - 7547
• a: 26.8319 ± 0.0006 Å
• b: 9.6267 ± 0.0003 Å
• c: 36.08 ± 0.0009 Å
• α: 90°
• β: 108.157 ± 0.001°
• γ: 90°
• Cell volume: 8855.5 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No